Basic information
- CAS
116195-58-5- Standard SMILES
Cc1cn([C@H]2C[C@H](C#N)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
LFAIUPXHKWZRNL-IWSPIJDZSA-N- Molecular formula
- C11H13N3O4
- Average molar mass
- 251.24 g/mol
- Monoisotopic mass
- 251.0906059
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- Cyanothymidine
- IUPAC
- (2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile
Names & synonyms
Cyanothymidine116195-58-5DTXSID701513111-(3-Cyano-2,3-dideoxypentofuranosyl)thymineRefChem:129118DTXCID70738023'-cyano-3'-deoxythymidineThymidine, 3'-cyano-3'-deoxy-3'-CNddT(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile3'-C-Cyano-3'-deoxythymidineCHEMBL2114993
Show more names
SCHEMBL18285429(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-carbonitrile
Database identifiers
- CAS
116195-58-5- PubChem CID
- 72265
- DTXSID
DTXSID70151311- ChEMBL
CHEMBL2114993- Nikkaji
- J363.189C
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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